1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

C23H24FN3O3 — CID 91809961

IUPAC1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1
InChIInChI=1S/C23H24FN3O3/c1-16-2-8-20(9-3-16)29-15-22(28)27-12-10-17(11-13-27)14-21-25-23(26-30-21)18-4-6-19(24)7-5-18/h2-9,17H,10-15H2,1H3
InChIKeyDVAKEQCCCMMSFJ-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.04
Rot. Bonds6

About 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 91809961) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID91809961
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1
InChIInChI=1S/C23H24FN3O3/c1-16-2-8-20(9-3-16)29-15-22(28)27-12-10-17(11-13-27)14-21-25-23(26-30-21)18-4-6-19(24)7-5-18/h2-9,17H,10-15H2,1H3
InChIKeyDVAKEQCCCMMSFJ-UHFFFAOYSA-N
XLogP4.04
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 91809961) is 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1.
What is the InChIKey of 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is DVAKEQCCCMMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-16-2-8-20(9-3-16)29-15-22(28)27-12-10-17(11-13-27)14-21-25-23(26-30-21)18-4-6-19(24)7-5-18/h2-9,17H,10-15H2,1H3.
What are the key properties of 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 409.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 91809961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).